(1S)-2-bromo-1-(2-fluorophenyl)ethanol

C8H8BrFO — CID 24862084

IUPAC(1S)-2-bromo-1-(2-fluorophenyl)ethanol
SMILESO[C@H](CBr)c1ccccc1F
InChIInChI=1S/C8H8BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m1/s1
InChIKeyATULJZJQJFRUFB-MRVPVSSYSA-N
MW219.05 g/mol
LogP2.25
Rot. Bonds2

About (1S)-2-bromo-1-(2-fluorophenyl)ethanol

(1S)-2-bromo-1-(2-fluorophenyl)ethanol (PubChem CID 24862084) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is (1S)-2-bromo-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-bromo-1-(2-fluorophenyl)ethanol
PubChem CID24862084
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name(1S)-2-bromo-1-(2-fluorophenyl)ethanol
SMILESO[C@H](CBr)c1ccccc1F
InChIInChI=1S/C8H8BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m1/s1
InChIKeyATULJZJQJFRUFB-MRVPVSSYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
(1S)-2-bromo-1-(2-propan-2-ylphenyl)ethanol
CID 141407511
bis(2-fluorophenyl)methanol
CID 18424663
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555

Frequently Asked Questions

What is the IUPAC name of (1S)-2-bromo-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-bromo-1-(2-fluorophenyl)ethanol (CID 24862084) is (1S)-2-bromo-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-bromo-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-bromo-1-(2-fluorophenyl)ethanol is O[C@H](CBr)c1ccccc1F.
What is the InChIKey of (1S)-2-bromo-1-(2-fluorophenyl)ethanol?
The InChIKey is ATULJZJQJFRUFB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,8,11H,5H2/t8-/m1/s1.
What are the key properties of (1S)-2-bromo-1-(2-fluorophenyl)ethanol?
(1S)-2-bromo-1-(2-fluorophenyl)ethanol has a molecular weight of 219.05 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-bromo-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 24862084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).